3-methoxy-3-methylbutane-2-sulfonyl fluoride

C6H13FO3S — CID 165486121

IUPAC3-methoxy-3-methylbutane-2-sulfonyl fluoride
SMILESCOC(C)(C)C(C)S(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-5(11(7,8)9)6(2,3)10-4/h5H,1-4H3
InChIKeyDSMSAXFTHKGLSG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds3

About 3-methoxy-3-methylbutane-2-sulfonyl fluoride

3-methoxy-3-methylbutane-2-sulfonyl fluoride (PubChem CID 165486121) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-methoxy-3-methylbutane-2-sulfonyl fluoride.

Molecular Properties

Compound Name3-methoxy-3-methylbutane-2-sulfonyl fluoride
PubChem CID165486121
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name3-methoxy-3-methylbutane-2-sulfonyl fluoride
SMILESCOC(C)(C)C(C)S(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-5(11(7,8)9)6(2,3)10-4/h5H,1-4H3
InChIKeyDSMSAXFTHKGLSG-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutane-2-sulfonyl fluoride?
The IUPAC name of 3-methoxy-3-methylbutane-2-sulfonyl fluoride (CID 165486121) is 3-methoxy-3-methylbutane-2-sulfonyl fluoride.
What is the SMILES notation for 3-methoxy-3-methylbutane-2-sulfonyl fluoride?
The canonical SMILES for 3-methoxy-3-methylbutane-2-sulfonyl fluoride is COC(C)(C)C(C)S(=O)(=O)F.
What is the InChIKey of 3-methoxy-3-methylbutane-2-sulfonyl fluoride?
The InChIKey is DSMSAXFTHKGLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-5(11(7,8)9)6(2,3)10-4/h5H,1-4H3.
What are the key properties of 3-methoxy-3-methylbutane-2-sulfonyl fluoride?
3-methoxy-3-methylbutane-2-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutane-2-sulfonyl fluoride is sourced from PubChem (CID 165486121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).